Mol:FL5FECGS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3206 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3206 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6061 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6061 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6061 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6061 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3206 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3206 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0350 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0350 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0350 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0350 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8916 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8916 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1772 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1772 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4627 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4627 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4627 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4627 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1772 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1772 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8916 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8916 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9663 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9663 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9663 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9663 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1772 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1772 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6807 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6807 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6061 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6061 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7495 1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7495 1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3206 2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3206 2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6273 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6273 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2663 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2663 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8537 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8537 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0553 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0553 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2619 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2619 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6744 -1.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6744 -1.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4728 -1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4728 -1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6298 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6298 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1096 -0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1096 -0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7495 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7495 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3024 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3024 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2268 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2268 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0052 | + | ID FL5FECGS0052 |
| − | KNApSAcK_ID C00013941 | + | KNApSAcK_ID C00013941 |
| − | NAME Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one | + | NAME Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 190328-61-1 | + | CAS_RN 190328-61-1 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES C(C1Oc(c4O)c(O)cc(c24)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4O)c(O)cc(c24)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
3.3206 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0350 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0350 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8916 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4627 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4627 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8916 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9663 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9663 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6807 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7495 1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6273 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8537 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0553 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2619 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6744 -1.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4728 -1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6298 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1096 -0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7495 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3024 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 23 1 0 0 0 0
S SKP 8
ID FL5FECGS0052
KNApSAcK_ID C00013941
NAME Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 190328-61-1
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES C(C1Oc(c4O)c(O)cc(c24)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)(O)C(O)C(O)C(O1)CO
M END
